SCHEMBL574432

SCHEMBL574432

CCN1CCc2cc(C=O)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
MAPT P10636 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 1/20 0.56
NOTUM Q6P988 1/20 0.47
ALDH1A3 P47895 6/20 0.44
KDM4E B2RXH2 3/20 0.42
BLM P54132 3/20 0.42
POLB P06746 2/20 0.42
MCL1 Q07820 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
APOBEC3A P31941 3/20 0.40
APOBEC3G Q9HC16 3/20 0.40
RECQL P46063 2/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10689705 0.91 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7487588 0.85 MEN1 (0.55) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL7035542 0.83 MEN1 (0.52) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL20522828 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16166137 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14156161 0.81 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8269762 0.80 ITGB3 (0.48) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16166500 0.79 MEN1 (0.62) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL16166235 0.79 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3218987 0.79 HPGD (0.48) ALDH1A1MAPTMEN1KMT2AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489665-B1 Evaluation probe for central nervous system permeability, evaluation method for central nervous system permeability, and screening method using an evaluation probe for central nervous system permeability CANON KK (JP) 2019-10-02 EP disclosed
US-10227337-B2 Evaluation probe for central nervous system permeability, evaluation method for central nervous system permeability, and screening method using an evaluation probe for central nervous system permeability CANON KABUSHIKI KAISHA (JP) 2019-03-12 US disclosed
EP-2601194-B1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-8871929-B2 Fused-imidazoyl compounds useful as antimicrobial agents MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
EP-2601194-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS Merck Sharp & Dohme Corp. (US) 2013-06-12 EP disclosed
EP-2489665-A1 Evaluation probe for central nervous system permeability, evaluation method for central nervous system permeability, and screening method using an evaluation probe for central nervous system permeability Canon Kabushiki Kaisha (JP) 2012-08-22 EP disclosed
US-20120207683-A1 EVALUATION PROBE FOR CENTRAL NERVOUS SYSTEM PERMEABILITY, EVALUATION METHOD FOR CENTRAL NERVOUS SYSTEM PERMEABILITY, AND SCREENING METHOD USING AN EVALUATION PROBE FOR CENTRAL NERVOUS SYSTEM PERMEABILITY CANON KABUSHIKI KAISHA (JP) 2012-08-16 US disclosed
WO-2012018662-A2 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS SCHERING CORPORATION (US) 2012-02-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130210816-A1 FUSED-IMIDAZOYL COMPOUNDS USEFUL AS ANTIMICROBIAL AGENTS MRPL21, ARG1, RPS4Y1 ALDH1A1 2376/4885MAPT 4607/4885MEN1 1050/4885
US-10227337-B2 Evaluation probe for central nervous system permeability, evaluation method for central nervous system permeability, and screening method using an evaluation probe for central nervous system permeability PMP22, GAP43, AQP4 ALDH1A1 976/4885MAPT 378/4885MEN1 2553/4885
US-20120207683-A1 EVALUATION PROBE FOR CENTRAL NERVOUS SYSTEM PERMEABILITY, EVALUATION METHOD FOR CENTRAL NERVOUS SYSTEM PERMEABILITY, AND SCREENING METHOD USING AN EVALUATION PROBE FOR CENTRAL NERVOUS SYSTEM PERMEABILITY PMP22, GAP43, AQP4 ALDH1A1 976/4885MAPT 378/4885MEN1 2553/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.